MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004273
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004273
RECORD_TITLE: ACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ACETIC ACID METHYL ESTER
CH$NAME: METHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O2
CH$EXACT_MASS: 74.03678
CH$SMILES: COC(C)=O
CH$IUPAC: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
CH$LINK: CAS
79-20-9
CH$LINK: INCHIKEY
KXKVLQRXCPHEJC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021767
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-5159f548daf4863c7b5f
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
13 1.42 14
14 5.6 56
15 31.42 314
28 1.7 17
29 8.87 89
30 1.35 14
31 5.11 51
32 2.06 21
41 1.28 13
42 9.93 99
43 99.99 999
44 2.84 28
45 1.35 14
59 5.67 57
74 12.48 125
75 1 10
//